6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide

C20H26N4O — CID 109121643

IUPAC6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O/c25-20(21-15-14-16-8-4-3-5-9-16)18-12-13-19(24-23-18)22-17-10-6-1-2-7-11-17/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,21,25)(H,22,24)
InChIKeyDIXKIOVVXFLIJG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds6

About 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide

6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109121643) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID109121643
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O/c25-20(21-15-14-16-8-4-3-5-9-16)18-12-13-19(24-23-18)22-17-10-6-1-2-7-11-17/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,21,25)(H,22,24)
InChIKeyDIXKIOVVXFLIJG-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109109833
6-(cyclohexylamino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109112877
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 109121643) is 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(NC2CCCCCC2)nn1.
What is the InChIKey of 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is DIXKIOVVXFLIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(21-15-14-16-8-4-3-5-9-16)18-12-13-19(24-23-18)22-17-10-6-1-2-7-11-17/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,21,25)(H,22,24).
What are the key properties of 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).